Molecule Details
| InChIKey | HLWURFKMDLAKOD-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gefapixant |
| Canonical SMILES | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15097 |
|---|---|
| Drug Name | Gefapixant |
| CAS Number | 1015787-98-0 |
| Groups | approved investigational |
| ATC Codes | R05DB29 G01AE10 |
| Description | It has been estimated that 5-10% of adults globally suffer from chronic cough, which is defined as a cough lasting longer than eight weeks.[L48601] A subset of these patients remain symptomatic despite thorough investigation and treatment, termed refractory chronic cough (RCC) if they have a cough t... |
Categories: Amides BCRP/ABCG2 Substrates Benzene Derivatives Cough and Cold Preparations MATE 1 Substrates MATE 2 Substrates MATE substrates P-glycoprotein substrates Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 50533006 CHEMBL3716057 ChemSpider: 58828660 PDB: AF9 Wikipedia: Gefapixant ZINC: ZINC000116342482
Target Activities (2)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P56373 | P2RX3 | P2X purinoceptor 3 | antagonist | targets |
| Q9UBL9 | P2RX2 | P2X purinoceptor 2 | antagonist | targets |
| P56373 | P2RX3 | P2X purinoceptor 3 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | substrate | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |